Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
Package Information
No reported malware or high/critical advisories · Details
The current version has no OSV.dev malware reports and no critical or high-severity vulnerabilities.
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Dependencies
- ase >=3.23.0
- importlib-metadata >=1.4
- networkx >=2.3
- pandas >=2.0.2
- psutil
- pymatgen >=2024.3.1
- pyocse >=0.1.1
- scipy >=1.7.3
- spglib >=2.5.0
- typing-extensions >=4.12
- vasprun-xml >=1.0.4
9 optional dependencies
-
coverage[test]extra == "test"
-
monty>=2024.2.26[test]extra == "test"
-
openbabel[molecules]extra == "molecules"
-
py3dmol>=0.8.0[visualization]extra == "visualization"
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pybel[molecules]extra == "molecules"
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pyshtools>=4.10.3[descriptor]extra == "descriptor"
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pytest[test]extra == "test"
-
pytest-cov[test]extra == "test"
-
wheel[test]extra == "test"
Used By
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- pyiron-potentialfit 419/mo
- csp-cryspy 350/mo
- autoxrd 332/mo
- cdvae-property-models 186/mo